2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(4-methoxyphenyl)sulfonylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(4-methoxyphenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(4-methoxyphenyl)sulfonylamino]quinoline-4-carboxylic acid CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-6-[(4-methoxyphenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(4-methoxyphenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(2-methoxyphenyl)piperazino]-6-[(4-methoxyphenyl)sulfonylamino]cinchoninic acid Formula: C28H28N4O6S MolecularWeight: 548.61012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C28H28N4O6S/c1-37-20-8-10-21(11-9-20)39(35,36)30-19-7-12-24-22(17-19)23(28(33)34)18-27(29-24)32-15-13-31(14-16-32)25-5-3-4-6-26(25)38-2/h3-12,17-18,30H,13-16H2,1-2H3,(H,33,34)